2-(1-methylcycloheptyl)aziridine

C10H19N — CID 157088948

IUPAC2-(1-methylcycloheptyl)aziridine
SMILESCC1(C2CN2)CCCCCC1
InChIInChI=1S/C10H19N/c1-10(9-8-11-9)6-4-2-3-5-7-10/h9,11H,2-8H2,1H3
InChIKeyAEKSKVZKBPWHBY-UHFFFAOYSA-N
MW153.27 g/mol
LogP2.32
Rot. Bonds1

About 2-(1-methylcycloheptyl)aziridine

2-(1-methylcycloheptyl)aziridine (PubChem CID 157088948) has the molecular formula C10H19N and a molecular weight of 153.27 g/mol. Its IUPAC name is 2-(1-methylcycloheptyl)aziridine.

Molecular Properties

Compound Name2-(1-methylcycloheptyl)aziridine
PubChem CID157088948
Molecular FormulaC10H19N
Molecular Weight153.27 g/mol
Exact Mass153.15
IUPAC Name2-(1-methylcycloheptyl)aziridine
SMILESCC1(C2CN2)CCCCCC1
InChIInChI=1S/C10H19N/c1-10(9-8-11-9)6-4-2-3-5-7-10/h9,11H,2-8H2,1H3
InChIKeyAEKSKVZKBPWHBY-UHFFFAOYSA-N
XLogP2.32
TPSA21.94 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.27
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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(1-methylcyclopentyl)cyclohexane
CID 13217819
(2R,5S)-5-methyl-2-(1-methylcyclopropyl)piperidine
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3,7-dimethyl-5-(1-methylcycloundecyl)azocane
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2,2-dimethyl-3-(1-methylcyclohexyl)pyrrolidine
CID 131186368
6-cycloundecyl-6-methyldiazecane
CID 126582920
(2S,3aR,7aR)-2,3a-dimethyl-1,2,3,4,5,6,7,7a-octahydroindole
CID 70343594
(3aS,7aS)-7a-methyl-1,2,3,3a,4,5,6,7-octahydroindene
CID 71361825
1,1,7,7-tetramethylcyclopentadecane
CID 123360096
1,1-dimethylcyclononane
CID 59289773
3-cyclohexyl-3-methylpiperidine;hydrochloride
CID 69054070

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcycloheptyl)aziridine?
The IUPAC name of 2-(1-methylcycloheptyl)aziridine (CID 157088948) is 2-(1-methylcycloheptyl)aziridine.
What is the SMILES notation for 2-(1-methylcycloheptyl)aziridine?
The canonical SMILES for 2-(1-methylcycloheptyl)aziridine is CC1(C2CN2)CCCCCC1.
What is the InChIKey of 2-(1-methylcycloheptyl)aziridine?
The InChIKey is AEKSKVZKBPWHBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N/c1-10(9-8-11-9)6-4-2-3-5-7-10/h9,11H,2-8H2,1H3.
What are the key properties of 2-(1-methylcycloheptyl)aziridine?
2-(1-methylcycloheptyl)aziridine has a molecular weight of 153.27 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcycloheptyl)aziridine is sourced from PubChem (CID 157088948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).